VMD-L Mailing List

From: Alexis Salas (as2444_at_columbia.edu)
Date: Mon Aug 02 2004 - 13:13:06 CDT

Hi, vmd -users

My protein has the chargue -8 to pH 7.4. However I used autoionize the
chargue of my system is about 0.

Now i need changue the charge of my protein for the residue protonate to
pH 7.4. How i can make this and then obtained my psf file??. I used
charmm27.

Exist one plugins or script for setting to different pHs??.

Thanks in advance.

Alexis Salas